7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C16H16N4O — CID 53040786

IUPAC7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C)cc2)nc2ccnn12
InChIInChI=1S/C16H16N4O/c1-3-13-10-14(19-15-8-9-17-20(13)15)16(21)18-12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,18,21)
InChIKeyHWUFFZDNQWKLOH-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.85
Rot. Bonds3

About 7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040786) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040786
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C)cc2)nc2ccnn12
InChIInChI=1S/C16H16N4O/c1-3-13-10-14(19-15-8-9-17-20(13)15)16(21)18-12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,18,21)
InChIKeyHWUFFZDNQWKLOH-UHFFFAOYSA-N
XLogP2.85
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040786) is 7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is CCc1cc(C(=O)Nc2ccc(C)cc2)nc2ccnn12.
What is the InChIKey of 7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is HWUFFZDNQWKLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-3-13-10-14(19-15-8-9-17-20(13)15)16(21)18-12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,18,21).
What are the key properties of 7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).